Related papers: Static dipole polarizabilities of polyacenes using…
We re-examine the problem of the dielectric response of highly polar liquids such as water in confinement between two walls using a simple two-variable density functional theory involving number and polarisation densities. In the…
We discuss the dynamical polarization, plasmon dispersion, relaxation time, and the Friedel oscillation of screened potential of the two-dimension Dirac and three-dimension Weyl system (which are gapped) in the low-energy tigh-binding…
Self-consistent calculations using the Perdew-Zunger self-interaction correction (PZ-SIC) to local density and gradient dependent energy functionals are presented for the binding energy and equilibrium geometry of small molecules as well as…
We present electric dipole polarizabilities ($\alpha_d$) of the alkali-metal negative ions, from H$^-$ to Fr$^-$, by employing four-component relativistic many-body methods. Differences in the results are shown by considering Dirac-Coulomb…
We show that the electric dipole-dipole interaction between a pair of polar molecules undergoes an all-out transformation when superimposed by a far-off resonant optical field. The combined interaction potential becomes tunable by variation…
By means of density functional theory (DFT) calculations we have quantitatively estimated the impact of the spontaneous polarization (SP) of the SiC(0001) substrate on the electronic properties of quasi-freestanding graphene (QFG) decoupled…
The strong boundary normalized condition of wavefunction for fully occupied semicore 3d orbitals leads the linear response DFT+U on such metal oxide to have an insurmountable obstacle in Hubbard U determination. We treated the orbital…
We present a multiscale atomistic-to-continuum method for ionic crystals with defects. Defects often play a central role in ionic and electronic solids, not only to limit reliability, but more importantly to enable the functionalities that…
We investigate the formation of vortices in quasi-two-dimensional dipolar Bose-Einstein Condensates (BECs) through the interplay between two-body contact and long-ranged dipole-dipole interactions (DDIs), as both interactions can be tuned…
We calculate the dynamic polarizability under the random phase approximation for the dice lattice. This two-dimensional system gives rise to massless Dirac fermions with pseudospin-1 in the low-energy quantum excitation spectrum, providing…
We propose a new semiclassical approach based on the dynamical mean field theory to treat the interactions of electrons with local lattice fluctuations. In this approach the classical (static) phonon modes are treated exactly whereas the…
Color centers in silicon carbide (SiC) have demonstrated significant promise for quantum information processing. However, the undesirable ionization process that occurs during optical manipulation frequently causes fluctuations in the…
Although all-dielectric sensors exhibit minimal absorption and a high figure of merit (FOM), their sensitivity is significantly lower compared to plasmonic sensors. One approach to enhancing the sensitivity of dielectric sensors is…
The present paper deals with an experimental feasibility study concerning the detection of long- range intermolecular interactions through molecular diffusion behavior in solution. This follows previous analyses, theoretical and numerical,…
We consider a two-dimensional honeycomb lattice of metallic nanoparticles, each supporting a localized surface plasmon, and study the quantum properties of the collective plasmons resulting from the near field dipolar interaction between…
We address spin polarization dependence of graphene's Fermi liquid properties quantitatively using a microscopic Random Phase Approximation theory in an interacting spin-polarized Dirac electron system. We show an enhancement of the…
We propose a novel approach to the problem of polarizabilities and dissociation in electric fields from the static limit of the Vignale-Kohn (VK) functional. We consider the response to the purely scalar part of the VK response…
Tasker type III polar terminations of ionic crystals carry a net surface charge as well as a dipole moment and are fundamentally unstable. In contact with electrolytes, such polar surfaces can be stabilized by adsorption of counter ions…
The surface state of a three-dimensional topological insulator forms a two-dimensional massless Dirac electron system. In Dirac electron systems, Coulomb interaction is not screened due to the small density of states at the Fermi energy and…
The unique structure of two-dimensional (2D) Dirac crystals, with electronic bands linear in the proximity of the Brillouin-zone boundary and the Fermi energy, creates anomalous situations where small Fermi-energy perturbations are known to…